For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4,4'-(Ethyne-1,2-diyl)diphthalic anhydride
SpectraBase Compound ID BRRVe6WZ8YK
InChI InChI=1S/C18H6O6/c19-15-11-5-3-9(7-13(11)17(21)23-15)1-2-10-4-6-12-14(8-10)18(22)24-16(12)20/h3-8H
InChIKey XGZRRDYHYZLYIJ-UHFFFAOYSA-N
Mol Weight 318.24 g/mol
Molecular Formula C18H6O6
Exact Mass 318.016438 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AwMLJSrIstW
Name 4,4'-(Ethyne-1,2-diyl)diphthalic anhydride
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number E1164
Lot Number GL5UE-RM
Accessory DuraSample IR #145404C7
Acquisition Mode double sided, forward-backward
Actual Signal Gain 16
Actual Signal Gain 2nd Channel 1
Additional Data Treatment 1
Analog Signal 1 0.270589
Analog Signal 2 0
Aperture Setting 6 mm
Apodization Function Norton-Beer, medium
Background Measurement Channel Sample Compartment
Background Peak Amplitude 2nd Channel 1
Background Peak Location 2nd Channel 1
Background Rotations 32
Background Scans 32
Background Scans or Time Scans
Backward Peak Amplitude -1424
Backward Peak Location 7370
Beam Splitter Setting KBr
CAS Registry Number 129808-00-0
Color Properties White
Container ID C-010317
Copyright Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Point Format 1
Delay Before Measurement 1 s
Detector Setting RT-DLaTGS [Internal]
End Frequency Limit for File 340
External Synchronization Off
Focal Length 100
Formula C18H6O6
Frequency of First Point 3998.31 cm⁻¹
Frequency of Last Point 339.461 cm⁻¹
High Folding Limit 15800.4
High Frequency Limit 8000 cm⁻¹
High Pass Filter 0
InChI InChI=1S/C18H6O6/c19-15-11-5-3-9(7-13(11)17(21)23-15)1-2-10-4-6-12-14(8-10)18(22)24-16(12)20/h3-8H
InChIKey XGZRRDYHYZLYIJ-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
Laser Wavenumber 15800.4 cm⁻¹
Low Folding Limit 0
Low Frequency Limit 0
Low Pass Filter 10
Measurement Channel Sample Compartment
Molecular Weight 318.240 g/mol
Non Linearity Correction 0
Number of Points 3795
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -1381
Peak Amplitude 2nd Channel 1
Peak Location 7366
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 8
Preamplifier Gain 3
Preamplifier Gain Background 0
Purity >98.0%
Relative Humidity Interferometer 0 %
Resolution 4
SKU E1164-5G
SMILES c1c(ccc2C(OC(c12)=O)=O)C#Cc1ccc2C(OC(c2c1)=O)=O
Sample Comments Sample ground at metal edge of ATR
Sample Rotations 32
Sample Scans or Time Scans
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 27.298 s
Scanner Temperature 29.9 °C
Scanner Velocity 10 kHz
Signal Gain, Background automatic
Signal Gain, Sample automatic
Source of Spectrum Bio-Rad Laboratories, Inc.
Start Frequency Limit for File 4000 cm⁻¹
Synonyms 5,5'-(Ethyne-1,2-diyl)bis(isobenzofuran-1,3-dione)
Technique ATR-Neat
Zero Filling Factor 4